2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C10H14F3NOS — CID 106212672

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)9(3-4-9)14-7(15)5-8(6-16)1-2-8/h16H,1-6H2,(H,14,15)
InChIKeyHXASOTZXCOJIEL-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 106212672) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID106212672
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NOS/c11-10(12,13)9(3-4-9)14-7(15)5-8(6-16)1-2-8/h16H,1-6H2,(H,14,15)
InChIKeyHXASOTZXCOJIEL-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 106212672) is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is HXASOTZXCOJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c11-10(12,13)9(3-4-9)14-7(15)5-8(6-16)1-2-8/h16H,1-6H2,(H,14,15).
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 253.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106212672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).